(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one

C10H16N2O2 — CID 135441955

IUPAC(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one
SMILES[H]/N=C(C(/C(C)=O)=C(/C)O)\N1CCCC1
InChIInChI=1S/C10H16N2O2/c1-7(13)9(8(2)14)10(11)12-5-3-4-6-12/h11,13H,3-6H2,1-2H3/b9-7-,11-10-
InChIKeySADKHDQOAQEVIY-MNAJIYKBSA-N
MW196.25 g/mol
LogP1.48
Rot. Bonds2

About (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one

(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one (PubChem CID 135441955) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one
PubChem CID135441955
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one
SMILES[H]/N=C(C(/C(C)=O)=C(/C)O)\N1CCCC1
InChIInChI=1S/C10H16N2O2/c1-7(13)9(8(2)14)10(11)12-5-3-4-6-12/h11,13H,3-6H2,1-2H3/b9-7-,11-10-
InChIKeySADKHDQOAQEVIY-MNAJIYKBSA-N
XLogP1.48
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-hydroxy-3-(4-phenylpiperazine-1-carboximidoyl)pent-3-en-2-one
CID 137090494
ethane;1-piperidin-1-ylethanimine
CID 142132316
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(azetidin-1-yl)ethanone
CID 14061673
propane;1-pyrrolidin-1-ylethanone
CID 143432619
(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine
CID 156818872
ethyl (E,2Z)-4-cyano-2-[ethoxy(hydroxy)methylidene]-5-imino-5-pyrrolidin-1-ylpent-3-enoate
CID 135703679
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
3-pyrrolidin-1-ylbut-2-enoic acid
CID 54339396
pyrrolidine-1-carboximidoyl bromide
CID 14042534
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
iodomethane;piperidine-1-carboxylic acid
CID 159672368

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one (CID 135441955) is (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one is [H]/N=C(C(/C(C)=O)=C(/C)O)\N1CCCC1.
What is the InChIKey of (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one?
The InChIKey is SADKHDQOAQEVIY-MNAJIYKBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(13)9(8(2)14)10(11)12-5-3-4-6-12/h11,13H,3-6H2,1-2H3/b9-7-,11-10-.
What are the key properties of (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one?
(E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-3-(pyrrolidine-1-carboximidoyl)pent-3-en-2-one is sourced from PubChem (CID 135441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).